5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one

C10H12N4O2 — CID 79355971

IUPAC5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2nonc2C)cc1N
InChIInChI=1S/C10H12N4O2/c1-6-3-10(15)14(4-8(6)11)5-9-7(2)12-16-13-9/h3-4H,5,11H2,1-2H3
InChIKeySWIFCCJZCLGYGP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.48
Rot. Bonds2

About 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one

5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one (PubChem CID 79355971) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
PubChem CID79355971
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2nonc2C)cc1N
InChIInChI=1S/C10H12N4O2/c1-6-3-10(15)14(4-8(6)11)5-9-7(2)12-16-13-9/h3-4H,5,11H2,1-2H3
InChIKeySWIFCCJZCLGYGP-UHFFFAOYSA-N
XLogP0.48
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one (CID 79355971) is 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one is Cc1cc(=O)n(Cc2nonc2C)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
The InChIKey is SWIFCCJZCLGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-3-10(15)14(4-8(6)11)5-9-7(2)12-16-13-9/h3-4H,5,11H2,1-2H3.
What are the key properties of 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one?
5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 79355971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).